SCHEMBL916292

SCHEMBL916292

CNc1ccc2c(Sc3ccccc3C(=O)OC)cn(Cc3cc(F)cc(F)c3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.38
MAPK1 P28482 1/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
HSD17B10 Q99714 1/20 0.36
P2RX7 Q99572 2/20 0.35
SERPINE1 P05121 1/20 0.35
MAPT P10636 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NR4A2 P43354 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL916153 0.90 POLB (0.43) P2RX3MAPK1GAAALDH1A1POLB
SCHEMBL710383 0.88 CNR1 (0.45) ALDH1A1POLBP2RX7TP53
SCHEMBL916309 0.85 P2RX3 (0.34) P2RX3MAPK1GAAALDH1A1POLB
SCHEMBL916395 0.82 MAPK1 (0.38) MAPK1ALDH1A1POLBKMT2AMEN1
SCHEMBL708249 0.80 HDAC1 (0.46) GAAALDH1A1
SCHEMBL916311 0.80 BRD4 (0.35) MAPK1GAAALDH1A1POLBKMT2A
SCHEMBL916625 0.80 SLC6A2 (0.39) MAPK1GAAALDH1A1POLBKMT2A
SCHEMBL915366 0.80 ALDH1A1 (0.36) MAPK1ALDH1A1POLBKMT2AMEN1
SCHEMBL709821 0.79 CHRM1 (0.46) ALDH1A1HSD17B10NPC1RAB9ATP53
SCHEMBL711445 0.78 PLA2G2A (0.44) GAAALDH1A1POLBKMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009428-A1 NOVEL ANDROGENS N.V. ORGANON (NL) 2011-01-13 US disclosed
EP-1742912-B1 NOVEL ANDROGENS ORGANON NV (NL) 2010-08-25 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 P2RX3 1661/4885MAPK1 3221/4885GAA 4803/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.